BDBM50422425 CHEMBL4175585

SMILES: Oc1cc(ccc1F)C(=C)c1cccc(n1)-c1cccc(O)c1F

InChI Key: InChIKey=SBTYKIJSBBDYRD-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422425   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50422425 (CHEMBL4175585) Show SMILES Oc1cc(ccc1F)C(=C)c1cccc(n1)-c1cccc(O)c1F Show InChI InChI=1S/C42H69N5O5/c1-50-37-23-22-35-32-38(42(49)52-40(35)33-37)41(48)47-31-19-30-45-28-17-8-7-15-26-43-24-13-5-3-4-6-14-25-44-27-16-9-10-18-29-46-34-36-20-11-12-21-39(36)51-2/h11-12,20-23,32-33,35,40,43-46H,3-10,13-19,24-31,34H2,1-2H3,(H,47,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...				Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76
					More data for this Ligand-Target Pair				3D Structure (crystal)